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1016241-81-8 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-fluoro-
CAS No: 1016241-81-8 Catalog No: AG0004ZU MDL No:
Product Description
Catalog Number:
AG0004ZU
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-fluoro-
CAS Number:
1016241-81-8
Molecular Formula:
C7H4FN3O2
Molecular Weight:
181.1240
IUPAC Name:
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H4FN3O2/c8-5-3-1-4(7(12)13)11-6(3)10-2-9-5/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
PAYLIYUKVLBCRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncnc2F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.126g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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